In-Silico Structure Database (LMISSD)
Common Name
PIP[5'](37:0/12:0)
Systematic Name
1-heptatriacontanoyl-2-dodecanoyl-sn-glycero-3-phosphoinositol-5-phosphate
LM ID
LMGP07019P1I
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1128.758216
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
VBZQMQPNIVLEFZ-SIIRDSBOSA-N
InChi (Click to copy)
InChI=1S/C58H114O16P2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-40-42-44-46-51(59)70-48-50(72-52(60)47-45-43-41-38-12-10-8-6-4-2)49-71-76(68,69)74-58-55(63)53(61)54(62)57(56(58)64)73-75(65,66)67/h50,53-58,61-64H,3-49H2,1-2H3,(H,68,69)(H2,65,66,67)/t50-,53-,54?,55?,56?,57?,58-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O